Software
Program development
| Name | Module | Default version | Restriction |
|---|---|---|---|
| Intel OneAPI | intel |
2023.2 | |
| GNU Compiler | No need | 8.5.0 | |
| NVIDIA HPC SDK | nvidia |
23.9 | |
| Python | No need | 3.6.8 | |
| CUDA | cuda |
12.2.2 | |
| R | |
||
| Julia | julia |
1.10.3 |
MPI library
| Name | Module | Default version | Restriction |
|---|---|---|---|
| Intel MPI | impi |
2021.12 | |
| Open MPI (HPC-X) | |
||
| MVAPICH | mvapich |
Numerical library
| Name | Module | Default version | Restriction |
|---|---|---|---|
| Intel MKL | intel |
2023.2 | |
| FFTW | fftw |
3.3.10 | |
| NAG | nag |
nll30_fl26 | Academic use only |
| PETSc | |
Computational chemistry
| Name | Module | Default version | Restriction |
|---|---|---|---|
| Gaussian, Gaussview | gaussian |
16.C.01 | |
| VASP | |
License holder only | |
| Molpro | molpro |
2024.1.0 | Academic user only |
| AMBER | |
||
| GAMESS | |
||
| GROMACS | |
||
| LAMMPS | |
||
| QUANTUM ESPRESSO | |
||
| CP2K | |
||
| MODYLAS | |
||
| NTChem | |
||
| OpenMX | |
||
| SALMON | |
||
| SMASH | |
||
| Hφ | |
||
| ABINIT-MP | abinit-mp |
v2r8 | |
| Genesis | |
||
| PHASE/0 | |
||
| AkaiKKR | |
||
| mVMC | |
||
| ALAMODE | |
||
| Phonopy | |
Fluid dynamics, Structural analysis
| Name | Module | Default version | Restriction |
|---|---|---|---|
| MSC Nastran | 2024.1 | ||
| MSC Marc | 2024.1 | ||
| OpenFOAM | |
||
| FrontFlow/blue | |
||
| FrontISTR | |
Machine learning
| Name | Module | Default version | Restriction |
|---|---|---|---|
| Pytorch | |
||
| MLflow | |
||
| Tensorflow | |
Scientific computing
| Name | Module | Default version | Restriction |
|---|---|---|---|
| Mathematica | mathematica |
14.0 | |
| MATLAB | matlab |
R2024a | Academic only |
Image processing
| Name | Module | Default version | Restriction |
|---|---|---|---|
| FIELDVIEW | fieldview |
2023 | Academic use only |
| MicroAVS | avs |
express85 |
File I/O
| Name | Module | Default version | Restriction |
|---|---|---|---|
| HDF5 | hdf5 |
1.14.4 | |
| NetCDF | netcdf |
4.9.2 |
Virtualization
| Name | Module | Default version | Restriction |
|---|---|---|---|
| Singularity | singularity-ce |
4.1.3 |
Web interface
| Name | Module | Default version | Restriction |
|---|---|---|---|
| Open OnDemand | |
||
| Jupyter Notebook | jupyter_notebook |
7.2.1 |
Workflow
| Name | Module | Default version | Restriction |
|---|---|---|---|
| OPEN-WHEEL | |
Cloud interface
| Name | Module | Default version | Restriction |
|---|---|---|---|
| AWS CLI | awscli |
2.16.8 | |
| AWS ParallelCluster | aws_pcluster |
3.9.1 | |
| Azure CLI, CycleCloud | |
||
| Google Cloud CLI | gcloudcli |
447.0.0 | |
| Oracle CLI | ocicli |
3.42.0 |